input word = C00054314

Metabolite InformationStructural formula
Name 4-(12-Cyclohexyl-2,4,6,11-tetrahydroxydodecyl)-alpha-undecylcyclohexanehexanoic acid
Formula C41H78O6
Mw 666.57984022
CAS RN 877210-65-6
C_ID C00054314
InChIKey MLTZHMIJDCRUQG-LVDZUNEWSA-N
InChICode InChI=1S/C41H78O6/c1-2-3-4-5-6-7-8-9-13-21-36(41(46)47)22-15-14-18-33-25-27-35(28-26-33)30-39(44)32-40(45)31-38(43)24-17-16-23-37(42)29-34-19-11-10-12-20-34/h33-40,42-45H,2-32H2,1H3,(H,46,47)/t33-,35+,36-,37-,38-,39-,40+/m1/s1
SMILES O[C@@H](C[C@@H](O)C[C@H](O)CCCC[C@@H](O)CC1CCCCC1)C[C@H]2CC[C@@H](CCCC[C@H](C(O)=O)CCCCCCCCCCC)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
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